Acetate → HCID 13604200, compound

HRID 685702Notes

Reaction equation

[BH4-:31].[C:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[cH:19][c:20]([CH:21]=[O:22])[cH:23][c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[c:25]1[OH:26].[CH3:35][C:36](=[O:37])[O-:38].[CH3:39][CH2:40][OH:41].[ClH:33].[NH2:1][CH:2]1[CH2:3][CH2:4][c:5]2[c:6]([CH3:13])[cH:7][c:8]([CH3:12])[c:9]([OH:11])[c:10]21.[Na+:32].[Na+:34].[OH2:42]>>[NH:1]([CH:2]1[CH2:3][CH2:4][c:5]2[c:6]([CH3:13])[cH:7][c:8]([CH3:12])[c:9]([OH:11])[c:10]21)[CH2:21][c:20]1[cH:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[c:25]([OH:26])[c:24]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:23]1

Participants

Reactant 8

HCID 175Acetate

HCID 313Hydrochloric Acid

HCID 702Ethanol

HCID 923Sodium ion2×

HCID 962Water

HCID 28123Borohydride

HCID 732193,5-Di-tert-butyl-4-hydroxybenzaldehyde

HCID 12857262HCID 12857262, compound

Product 1

HCID 13604200HCID 13604200, compound

Sources & evidence

ORD record: ord-de3f62c3cf6243c0b66587b0e416edf8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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